CHEBI:134315 - 2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid

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ChEBI Name 2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid
ChEBI ID CHEBI:134315
ChEBI ASCII Name 2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid
Definition A member of the class of benzoic acids that is benzoic acid in which the hydrogen at position 2 has been replaced by a 5-amino-4-cyano-1H-imidazol-1-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter kalra
Supplier Information
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Formula C11H8N4O2
Net Charge 0
Average Mass 228.207
Monoisotopic Mass 228.06473
InChI InChI=1S/C11H8N4O2/c12-5-8-10(13)15(6-14-8)9-4-2-1-3-7(9)11(16)17/h1-4,6H,13H2,(H,16,17)
InChIKey NDQXNDCTMFJRFD-UHFFFAOYSA-N
SMILES C1=CC=CC(=C1N2C(=C(N=C2)C#N)N)C(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid (CHEBI:134315) is a aminoimidazole (CHEBI:22512)
2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid (CHEBI:134315) is a benzoic acids (CHEBI:22723)
2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid (CHEBI:134315) is a nitrile (CHEBI:18379)
2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid (CHEBI:134315) is a primary amino compound (CHEBI:50994)
IUPAC Name
2-(5-amino-4-cyano-1H-imidazol-1-yl)benzoic acid
Last Modified
11 April 2017